3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-N-methylbenzamide

C21H21FN4O — CID 139323711

IUPAC3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2ccc(NCC(C)c3ccc(F)cc3)nn2)c1
InChIInChI=1S/C21H21FN4O/c1-14(15-6-8-18(22)9-7-15)13-24-20-11-10-19(25-26-20)16-4-3-5-17(12-16)21(27)23-2/h3-12,14H,13H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyQLLKKUSUDYOPKK-UHFFFAOYSA-N
MW364.42 g/mol
LogP3.86
Rot. Bonds6

About 3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-N-methylbenzamide

3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-N-methylbenzamide (PubChem CID 139323711) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is 3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-N-methylbenzamide
PubChem CID139323711
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC Name3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2ccc(NCC(C)c3ccc(F)cc3)nn2)c1
InChIInChI=1S/C21H21FN4O/c1-14(15-6-8-18(22)9-7-15)13-24-20-11-10-19(25-26-20)16-4-3-5-17(12-16)21(27)23-2/h3-12,14H,13H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyQLLKKUSUDYOPKK-UHFFFAOYSA-N
XLogP3.86
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-N-methylbenzamide?
The IUPAC name of 3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-N-methylbenzamide (CID 139323711) is 3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-N-methylbenzamide.
What is the SMILES notation for 3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-N-methylbenzamide?
The canonical SMILES for 3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-N-methylbenzamide is CNC(=O)c1cccc(-c2ccc(NCC(C)c3ccc(F)cc3)nn2)c1.
What is the InChIKey of 3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-N-methylbenzamide?
The InChIKey is QLLKKUSUDYOPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c1-14(15-6-8-18(22)9-7-15)13-24-20-11-10-19(25-26-20)16-4-3-5-17(12-16)21(27)23-2/h3-12,14H,13H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of 3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-N-methylbenzamide?
3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-N-methylbenzamide has a molecular weight of 364.42 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-N-methylbenzamide is sourced from PubChem (CID 139323711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).